Chemical Components in the PDB

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HHO : Summary

Code

HHO

One-letter code

X

Molecule name

1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE

Systematic names

ProgramVersionName
ACDLabs 10.04 8-[(hydroxymethyl)amino]octan-1-ol
OpenEye OEToolkits 1.5.0 8-(hydroxymethylamino)octan-1-ol

Formula

C9 H21 N O2

Formal charge

0

Molecular weight

175.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCCCCCCCNCO
SMILES CACTVS 3.341 OCCCCCCCCNCO
SMILES OpenEye OEToolkits 1.5.0 C(CCCCO)CCCNCO
Canonical SMILES CACTVS 3.341 OCCCCCCCCNCO
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCCCO)CCCNCO

IUPAC InChI

InChI=1S/C9H21NO2/c11-8-6-4-2-1-3-5-7-10-9-12/h10-12H,1-9H2

IUPAC InChI key

SJEVZMRZAJQYFZ-UHFFFAOYSA-N
HHO

wwPDB Information

Atom count

33 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned